1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C20H27ClN4 — CID 77097247

IUPAC1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H27ClN4/c1-3-19-18(20(21)23(2)22-19)16-25-14-12-24(13-15-25)11-7-10-17-8-5-4-6-9-17/h4-10H,3,11-16H2,1-2H3/b10-7+
InChIKeyYAVZPPYVQPBYGX-JXMROGBWSA-N
MW358.92 g/mol
LogP3.47
Rot. Bonds6

About 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 77097247) has the molecular formula C20H27ClN4 and a molecular weight of 358.92 g/mol. Its IUPAC name is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID77097247
Molecular FormulaC20H27ClN4
Molecular Weight358.92 g/mol
Exact Mass358.19
IUPAC Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H27ClN4/c1-3-19-18(20(21)23(2)22-19)16-25-14-12-24(13-15-25)11-7-10-17-8-5-4-6-9-17/h4-10H,3,11-16H2,1-2H3/b10-7+
InChIKeyYAVZPPYVQPBYGX-JXMROGBWSA-N
XLogP3.47
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
6-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine
CID 154566608
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 86895377
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
CID 91836527
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 56915431
5-[[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 86895370
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 77097247) is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is CCc1nn(C)c(Cl)c1CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is YAVZPPYVQPBYGX-JXMROGBWSA-N. The full InChI is InChI=1S/C20H27ClN4/c1-3-19-18(20(21)23(2)22-19)16-25-14-12-24(13-15-25)11-7-10-17-8-5-4-6-9-17/h4-10H,3,11-16H2,1-2H3/b10-7+.
What are the key properties of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 358.92 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 77097247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).